(2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide

C5H11F3N2O2S — CID 100646080

IUPAC(2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H](N)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-10(2)13(11,12)3-4(9)5(6,7)8/h4H,3,9H2,1-2H3/t4-/m1/s1
InChIKeyQGLAOEYYBPVMNJ-SCSAIBSYSA-N
MW220.22 g/mol
LogP-0.23
Rot. Bonds3

About (2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide

(2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide (PubChem CID 100646080) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is (2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
PubChem CID100646080
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC Name(2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H](N)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-10(2)13(11,12)3-4(9)5(6,7)8/h4H,3,9H2,1-2H3/t4-/m1/s1
InChIKeyQGLAOEYYBPVMNJ-SCSAIBSYSA-N
XLogP-0.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of (2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide (CID 100646080) is (2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for (2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for (2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)C[C@@H](N)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is QGLAOEYYBPVMNJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-10(2)13(11,12)3-4(9)5(6,7)8/h4H,3,9H2,1-2H3/t4-/m1/s1.
What are the key properties of (2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide?
(2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 220.22 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 100646080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).